SCHEMBL7965635

SCHEMBL7965635

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(Oc3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
MAP3K7 O43318 4/20 0.36
PTK2 Q05397 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7473089 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7967753 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7954262 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7962163 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7967198 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7975475 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7474294 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7964009 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7484507 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7962259 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed